Unusual structure and magnetism in manganese oxide nanoclusters
Author(s)
Ganguly, Shreemoyee; Kabir, Mohammad Mukul; Sanyal, Biplab; Mookerjee, Abhijit
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We report an unusual evolution of structure and magnetism in stoichiometric MnO clusters based on an extensive and unbiased search through the potential-energy surface within density functional theory. The smaller clusters, containing up to five MnO units, adopt two-dimensional structures; and regardless of the size of the cluster, magnetic coupling is found to be antiferromagnetic in contrast to previous theoretical findings. Predicted structure and magnetism are strikingly different from the magnetic core of Mn-based molecular magnets, whereas, they were previously argued to be similar. Both of these features are explained through the inherent electronic structures of the clusters.
Date issued
2011-01Department
Massachusetts Institute of Technology. Department of Materials Science and EngineeringJournal
Physical Review B
Publisher
American Physical Society
Citation
Ganguly, Shreemoyee et al. "Unusual structure and magnetism in manganese oxide nanoclusters." Phys Rev B. 83.2 020411 ©2011 American Physical Society.
Version: Final published version
ISSN
1098-0121
1550-235X